4-[(E)-6-methylhept-2-en-2-yl]cyclohexa-1,5-dien-1-amine

C14H23N — CID 143311445

IUPAC4-[(E)-6-methylhept-2-en-2-yl]cyclohexa-1,5-dien-1-amine
SMILESC/C(=C\CCC(C)C)C1C=CC(N)=CC1
InChIInChI=1S/C14H23N/c1-11(2)5-4-6-12(3)13-7-9-14(15)10-8-13/h6-7,9-11,13H,4-5,8,15H2,1-3H3/b12-6+
InChIKeyDGSQKXRAEYJZLO-WUXMJOGZSA-N
MW205.34 g/mol
LogP3.79
Rot. Bonds4

About 4-[(E)-6-methylhept-2-en-2-yl]cyclohexa-1,5-dien-1-amine

4-[(E)-6-methylhept-2-en-2-yl]cyclohexa-1,5-dien-1-amine (PubChem CID 143311445) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 4-[(E)-6-methylhept-2-en-2-yl]cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4-[(E)-6-methylhept-2-en-2-yl]cyclohexa-1,5-dien-1-amine
PubChem CID143311445
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name4-[(E)-6-methylhept-2-en-2-yl]cyclohexa-1,5-dien-1-amine
SMILESC/C(=C\CCC(C)C)C1C=CC(N)=CC1
InChIInChI=1S/C14H23N/c1-11(2)5-4-6-12(3)13-7-9-14(15)10-8-13/h6-7,9-11,13H,4-5,8,15H2,1-3H3/b12-6+
InChIKeyDGSQKXRAEYJZLO-WUXMJOGZSA-N
XLogP3.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-6-methylhept-2-en-2-yl]cyclohexa-1,5-dien-1-amine?
The IUPAC name of 4-[(E)-6-methylhept-2-en-2-yl]cyclohexa-1,5-dien-1-amine (CID 143311445) is 4-[(E)-6-methylhept-2-en-2-yl]cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4-[(E)-6-methylhept-2-en-2-yl]cyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4-[(E)-6-methylhept-2-en-2-yl]cyclohexa-1,5-dien-1-amine is C/C(=C\CCC(C)C)C1C=CC(N)=CC1.
What is the InChIKey of 4-[(E)-6-methylhept-2-en-2-yl]cyclohexa-1,5-dien-1-amine?
The InChIKey is DGSQKXRAEYJZLO-WUXMJOGZSA-N. The full InChI is InChI=1S/C14H23N/c1-11(2)5-4-6-12(3)13-7-9-14(15)10-8-13/h6-7,9-11,13H,4-5,8,15H2,1-3H3/b12-6+.
What are the key properties of 4-[(E)-6-methylhept-2-en-2-yl]cyclohexa-1,5-dien-1-amine?
4-[(E)-6-methylhept-2-en-2-yl]cyclohexa-1,5-dien-1-amine has a molecular weight of 205.34 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-6-methylhept-2-en-2-yl]cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 143311445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).